Identità

Montelukast Impurity 28

Non indicato · C34H36ClNOS

01Identità

Lazychem ID	LC-39744
CAS RN	Non indicato
PubChem CID	58249656
Molecular formula	C34H36ClNOS
Molecular weight	542.2 g/mol
IUPAC name	2-[2-[(3R)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[(1-methylcyclopropyl)methylsulfanyl]propyl]phenyl]propan-2-ol
InChIKey	QYOLBAGHBAVRBR-GILSBLPBSA-N

02Struttura e stereochimica

Two-dimensional chemical structure of Montelukast Impurity 28 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	CC1(CC1)CS[C@H](CCC2=CC=CC=C2C(C)(C)O)C3=CC=CC(=C3)/C=C/C4=NC5=C(C=CC(=C5)Cl)C=C4
InChI	Non indicato

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.